2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide

C17H19N3O2 — CID 131903974

IUPAC2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C17H19N3O2/c1-10(2)17-19-13(20-22-17)9-18-16(21)15-11(3)14(15)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3,(H,18,21)
InChIKeyAPBMRGFCIIWUSX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.91
Rot. Bonds5

About 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide

2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide (PubChem CID 131903974) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
PubChem CID131903974
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCc1noc(C(C)C)n1
InChIInChI=1S/C17H19N3O2/c1-10(2)17-19-13(20-22-17)9-18-16(21)15-11(3)14(15)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3,(H,18,21)
InChIKeyAPBMRGFCIIWUSX-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide (CID 131903974) is 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)C1C(=O)NCc1noc(C(C)C)n1.
What is the InChIKey of 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide?
The InChIKey is APBMRGFCIIWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)17-19-13(20-22-17)9-18-16(21)15-11(3)14(15)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide?
2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 131903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).